4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline

C18H23NS2 — CID 43726275

IUPAC4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1ccc(SC2CCCC2)cc1)c1cccs1
InChIInChI=1S/C18H23NS2/c1-2-17(18-8-5-13-20-18)19-14-9-11-16(12-10-14)21-15-6-3-4-7-15/h5,8-13,15,17,19H,2-4,6-7H2,1H3
InChIKeyAAKQIDFCUWHPGN-UHFFFAOYSA-N
MW317.52 g/mol
LogP6.35
Rot. Bonds6

About 4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline

4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline (PubChem CID 43726275) has the molecular formula C18H23NS2 and a molecular weight of 317.52 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline
PubChem CID43726275
Molecular FormulaC18H23NS2
Molecular Weight317.52 g/mol
Exact Mass317.13
IUPAC Name4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1ccc(SC2CCCC2)cc1)c1cccs1
InChIInChI=1S/C18H23NS2/c1-2-17(18-8-5-13-20-18)19-14-9-11-16(12-10-14)21-15-6-3-4-7-15/h5,8-13,15,17,19H,2-4,6-7H2,1H3
InChIKeyAAKQIDFCUWHPGN-UHFFFAOYSA-N
XLogP6.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-cyclopentylsulfanylaniline
CID 43726330
4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline
CID 43726306
methyl 2-(4-cyclopentylsulfanylanilino)butanoate
CID 115352806
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
2-[4-(1-thiophen-2-ylpropylamino)phenoxy]acetonitrile
CID 43203333
2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336493
N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 114178930
3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline
CID 60943707
2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 43673863
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
CID 115377070
2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62370226

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline (CID 43726275) is 4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline is CCC(Nc1ccc(SC2CCCC2)cc1)c1cccs1.
What is the InChIKey of 4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline?
The InChIKey is AAKQIDFCUWHPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS2/c1-2-17(18-8-5-13-20-18)19-14-9-11-16(12-10-14)21-15-6-3-4-7-15/h5,8-13,15,17,19H,2-4,6-7H2,1H3.
What are the key properties of 4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline?
4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline has a molecular weight of 317.52 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 43726275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).